%chk=000239481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239481

0 1
N 3.665484 0.299318 -1.238312
N -0.503318 0.596216 0.991555
N 2.751451 -1.638388 -0.202619
N 1.201370 1.791979 0.012058
N 0.483249 -1.692737 0.818857
N 1.828354 -3.631560 0.664361
C 5.126124 0.155579 -0.987726
C 4.437146 1.498244 -0.809791
C 2.676916 -0.298653 -0.425316
C 1.540154 0.428198 0.029205
C 0.471167 -0.335929 0.633047
C -1.825732 0.298274 1.569372
C -0.010655 1.877282 0.565225
C 1.664130 -2.277043 0.406637
C -2.886850 0.219500 0.496525
C -2.881997 -0.853972 -0.406323
C -3.876133 1.207433 0.406819
C -3.866394 -0.936537 -1.393720
C -4.861227 1.117134 -0.581673
C -4.857555 0.047336 -1.481838
H 5.731204 -0.047844 -1.877835
H 5.485980 -0.407154 -0.122148
H 4.288814 1.928034 0.184767
H 4.530214 2.282045 -1.570464
H -2.067993 1.074474 2.331653
H -1.764276 -0.678114 2.118132
H -0.589917 2.777962 0.707249
H -2.104304 -1.618070 -0.337973
H -3.884118 2.045088 1.100947
H 1.017002 -4.174356 0.920790
H 2.575807 -4.121540 0.193239
H -3.860470 -1.768020 -2.097172
H -5.630963 1.884126 -0.650876
H -5.623864 -0.019505 -2.252151


%chk=000239481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239481

0 1
N 3.765350 0.295342 -1.137830
N -0.461330 0.675388 0.892014
N 2.728667 -1.633891 -0.241273
N 1.264918 1.853439 -0.068214
N 0.470649 -1.610795 0.762930
N 1.700156 -3.594290 0.505655
C 5.207171 0.079058 -0.900056
C 4.567898 1.468846 -0.727622
C 2.708747 -0.284057 -0.450929
C 1.578143 0.477706 -0.028786
C 0.515088 -0.266626 0.562350
C -1.772945 0.373437 1.501321
C 0.042948 1.926617 0.484020
C 1.625524 -2.227199 0.338726
C -2.900378 0.233159 0.481810
C -2.868074 -0.819471 -0.469165
C -3.989642 1.137528 0.476173
C -3.907366 -0.956941 -1.414061
C -5.033571 0.998347 -0.468503
C -4.993216 -0.048569 -1.416917
H 5.811929 -0.132981 -1.787423
H 5.488258 -0.478167 0.001588
H 4.425725 1.849402 0.290521
H 4.714666 2.236579 -1.493179
H -2.006948 1.169155 2.230775
H -1.637210 -0.572507 2.056870
H -0.527329 2.843768 0.617026
H -2.027410 -1.523488 -0.461668
H -4.024470 1.952457 1.210723
H 0.926460 -4.086078 0.942630
H 2.531867 -4.082382 0.187210
H -3.873686 -1.771163 -2.146645
H -5.872089 1.703847 -0.464671
H -5.799699 -0.156668 -2.150897


